SCHEMBL25649498

SCHEMBL25649498

C=CC(=C)c1cccc(C(=C)O)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ UNG P13051 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ TP53 P04637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL108144 0.79 AKT1 (0.54) AKT1TDP1ATML3MBTL1
SCHEMBL12802064 0.77 TDP1 (0.52) TDP1TP53
SCHEMBL21417238 0.77 F2 (0.48) AKT1TDP1CA12CA1CA2
SCHEMBL12095541 0.77 TP53 (0.52) AKT1TDP1UNGTP53
SCHEMBL10281027 0.77 AKT1 (0.34) AKT1
SCHEMBL12449810 0.77 APP (0.36) AKT1
SCHEMBL12831681 0.77 CES2 (0.52) L3MBTL1
Butadiene SCHEMBL3389124 0.75 AKT1 (0.50) AKT1TDP1ATM
Formaldehyde SCHEMBL27952160 0.75 AKT1 (0.56) AKT1TDP1ATML3MBTL1CA12
SCHEMBL17529236 0.74 TP53 (0.48) AKT1TDP1UNGTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023113577-A1 COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-06-22 — — WO disclosed
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